2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

C16H18N2O5S — CID 167883880

IUPAC2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCOc1ccccc1-c1nc(CN2C(=O)C(C)(C)CS2(=O)=O)co1
InChIInChI=1S/C16H18N2O5S/c1-16(2)10-24(20,21)18(15(16)19)8-11-9-23-14(17-11)12-6-4-5-7-13(12)22-3/h4-7,9H,8,10H2,1-3H3
InChIKeyGKRLDGSXPJOCIC-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.05
Rot. Bonds4

About 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one

2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 167883880) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID167883880
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCOc1ccccc1-c1nc(CN2C(=O)C(C)(C)CS2(=O)=O)co1
InChIInChI=1S/C16H18N2O5S/c1-16(2)10-24(20,21)18(15(16)19)8-11-9-23-14(17-11)12-6-4-5-7-13(12)22-3/h4-7,9H,8,10H2,1-3H3
InChIKeyGKRLDGSXPJOCIC-UHFFFAOYSA-N
XLogP2.05
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 167883880) is 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is COc1ccccc1-c1nc(CN2C(=O)C(C)(C)CS2(=O)=O)co1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is GKRLDGSXPJOCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-16(2)10-24(20,21)18(15(16)19)8-11-9-23-14(17-11)12-6-4-5-7-13(12)22-3/h4-7,9H,8,10H2,1-3H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 350.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 167883880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).